dominicrufa Goto Github PK
Name: Dominic Rufa
Type: User
Name: Dominic Rufa
Type: User
Numerical differential equation solvers in JAX. Autodifferentiable and GPU-capable.
Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196
interpolate between MM and ANI with AIS
Differentiable, Hardware Accelerated, Molecular Dynamics
exploring nonequilibrium switching for molecular systems
High level API for using machine learning models in OpenMM simulations
OpenMM plugin to define forces with neural networks
A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
Sequential Monte Carlo in python
a collection of ipython notebooks attempting to resurrect and complete protein mutations.
halide and heterocycle scans with perses RJMC!
Challenge inputs, details, and results for the SAMPL6 series of challenges
This repo is for demonstration purposes only.
vanilla repo for educational purposes
Differentiate all the things!
Accurate Neural Network Potential on PyTorch
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.